UCSF

ZINC41514866

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.01 8.55 -42.34 2 6 1 67 423.533 6
Hi High (pH 8-9.5) 4.01 7.08 -44.91 0 6 -1 69 421.517 6
Hi High (pH 8-9.5) 4.01 9.31 -51.65 1 6 0 70 422.525 6
Hi High (pH 8-9.5) 4.01 6.32 -8.83 1 6 0 66 422.525 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )